CID 1862503

N-(2-ethoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C26H26N4O4S
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=CC=C4
InChI
InChI=1S/C26H26N4O4S/c1-3-33-23-12-8-7-11-22(23)27-25(31)18-35-26-29-28-24(17-34-21-9-5-4-6-10-21)30(26)19-13-15-20(32-2)16-14-19/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey
SCNGBJOFKHVNDS-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.16748 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.17476 216.2
[M+Na]+ 513.15670 222.2
[M-H]- 489.16020 225.3
[M+NH4]+ 508.20130 220.7
[M+K]+ 529.13064 216.0
[M+H-H2O]+ 473.16474 204.1
[M+HCOO]- 535.16568 232.0
[M+CH3COO]- 549.18133 223.6
[M+Na-2H]- 511.14215 215.2
[M]+ 490.16693 223.3
[M]- 490.16803 223.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.